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CAS 50461-86-4 5,7-Dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 50461-86-4

5,7-Dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 1mg Out of stock Inquiry
Batchno.20250309 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS50461-86-4
  • Purity/Analytical Methods: >99.0%
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50461-86-4 / 5,7-dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

Standard CAS: 50461-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50461-86-4
Multi CAS
No
Molecular Formula
C19H18O8
Molecular Weight
374.300000
Exact Mass
374.100168
InChI
InChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-18(25-3)13(21)11-12(20)17(24-2)14(22)19(26-4)16(11)27-15/h5-8,20,22H,1-4H3
InChIKey
UZIFGCHUAVTVIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
97.46
TPSA
107.59

LogP / Solubility

WLOGP
2.91
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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